CID 6384

Bromotrifluoromethane

Structural Information

Molecular Formula

SMILES

C(F)(F)(F)Br

InChI

InChI=1S/CBrF3/c2-1(3,4)5

InChIKey

RJCQBQGAPKAMLL-UHFFFAOYSA-N

Compound name

bromo(trifluoro)methane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 27
References: 11281
Patents: 147.91354 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	148.92082	118.2
[M+Na]+	170.90276	131.4
[M-H]-	146.90626	118.4
[M+NH4]+	165.94736	142.9
[M+K]+	186.87670	121.8
[M+H-H2O]+	130.91080	118.0
[M+HCOO]-	192.91174	136.6
[M+CH3COO]-	206.92739	172.3
[M+Na-2H]-	168.88821	127.4
[M]+	147.91299	131.9
[M]-	147.91409	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe